2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide

C15H16N2O3S — CID 43527060

IUPAC2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)COc1ccccc1C(N)=S
InChIInChI=1S/C15H16N2O3S/c1-17(9-11-5-4-8-19-11)14(18)10-20-13-7-3-2-6-12(13)15(16)21/h2-8H,9-10H2,1H3,(H2,16,21)
InChIKeyMUGSMJMZLWVLEM-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.95
Rot. Bonds6

About 2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide

2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 43527060) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID43527060
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)COc1ccccc1C(N)=S
InChIInChI=1S/C15H16N2O3S/c1-17(9-11-5-4-8-19-11)14(18)10-20-13-7-3-2-6-12(13)15(16)21/h2-8H,9-10H2,1H3,(H2,16,21)
InChIKeyMUGSMJMZLWVLEM-UHFFFAOYSA-N
XLogP1.95
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-carbamothioylphenoxy)-N-(2-hydroxyethyl)-N-methylacetamide
CID 54879329
2-(2-carbamothioylphenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63694903
2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 84601511
2-(3-aminophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 54916005
N-(furan-2-ylmethyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 112775334
2-(2-aminophenoxy)-N-ethyl-N-(furan-2-ylmethyl)acetamide
CID 61110180
ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate
CID 78765345
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)-N-methylacetamide
CID 112779308
2-(5,6-dimethylpyridazin-3-yl)oxy-N-(furan-2-ylmethyl)-N-methylacetamide
CID 56782757
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 55404838
N-(furan-2-ylmethyl)-2-(2-methoxyphenoxy)-N-phenylacetamide
CID 18100575
2-(2-aminophenoxy)-N-cyclopropyl-N-(furan-2-ylmethyl)acetamide
CID 61107416

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide (CID 43527060) is 2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide is CN(Cc1ccco1)C(=O)COc1ccccc1C(N)=S.
What is the InChIKey of 2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is MUGSMJMZLWVLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-17(9-11-5-4-8-19-11)14(18)10-20-13-7-3-2-6-12(13)15(16)21/h2-8H,9-10H2,1H3,(H2,16,21).
What are the key properties of 2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide?
2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 304.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioylphenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 43527060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).